Geometry & MOs

Info

ID:	224035
PubChem CID:	85337193
Reduced:	OSN3Cl4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	482.070321
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	7.61
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-methylphenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-9-oxo-3,9a-dihydro-1H-benzo[e]benzimidazole-5-sulfonic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CC1C(=O)NC2=CC(=CC(=C2)Cl)Cl)NC(=S)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations